3-cyclopropyl-5-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]pyridin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-cyclopropyl-5-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]pyridin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-cyclopropyl-5-[6-[4-(2-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]-3-pyridyl]-1,2,4-oxadiazole CAS Name: 3-cyclopropyl-5-[6-[4-(2-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]-3-pyridinyl]-1,2,4-oxadiazole IUPAC Name: 3-cyclopropyl-5-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]pyridin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-cyclopropyl-5-[6-[4-(2-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]-3-pyridyl]-1,2,4-oxadiazole Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C3=NC(=NO3)C4CC4)CC5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C3=NC(=NO3)C4CC4)CC5=CC=CC=N5

InChI

InChI=1S/C21H24N6O/c1-2-9-22-18(4-1)15-26-10-3-11-27(13-12-26)19-8-7-17(14-23-19)21-24-20(25-28-21)16-5-6-16/h1-2,4,7-9,14,16H,3,5-6,10-13,15H2/p+1